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Home > Other Heterocycles > 89543-06-6
89543-06-6 | 2,3-Diazabicyclo[3.2.0]hept-2-en-6-one, 7,7-dimethyl-4,4-diphenyl-
CAS No: 89543-06-6 Catalog No: AG0040HA MDL No:
Product Description
Catalog Number:
AG0040HA
Chemical Name:
2,3-Diazabicyclo[3.2.0]hept-2-en-6-one, 7,7-dimethyl-4,4-diphenyl-
CAS Number:
89543-06-6
Molecular Formula:
C19H18N2O
Molecular Weight:
290.3590
IUPAC Name:
7,7-dimethyl-4,4-diphenyl-2,3-diazabicyclo[3.2.0]hept-2-en-6-one
InChI:
InChI=1S/C19H18N2O/c1-18(2)16-15(17(18)22)19(21-20-16,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3
InChI Key:
CEPGGYQGJWKKDZ-UHFFFAOYSA-N
SMILES:
O=C1C2C(C1(C)C)N=NC2(c1ccccc1)c1ccccc1
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.366g/mol
Monoisotopic Mass:
290.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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